5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine

C10H6Cl2FN3O — CID 80876289

IUPAC5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H6Cl2FN3O/c11-6-3-5(1-2-8(6)13)17-9-7(12)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyBWMGUGWGQWOGSF-UHFFFAOYSA-N
MW274.08 g/mol
LogP3.30
Rot. Bonds2

About 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine

5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine (PubChem CID 80876289) has the molecular formula C10H6Cl2FN3O and a molecular weight of 274.08 g/mol. Its IUPAC name is 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
PubChem CID80876289
Molecular FormulaC10H6Cl2FN3O
Molecular Weight274.08 g/mol
Exact Mass272.99
IUPAC Name5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H6Cl2FN3O/c11-6-3-5(1-2-8(6)13)17-9-7(12)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyBWMGUGWGQWOGSF-UHFFFAOYSA-N
XLogP3.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80864784
5-chloro-4-(3-methylphenoxy)pyrimidin-2-amine
CID 80869678
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
CID 80881851
5-chloro-4-(4-propylphenoxy)pyrimidin-2-amine
CID 80879754
5-chloro-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874158
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine (CID 80876289) is 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine is Nc1ncc(Cl)c(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is BWMGUGWGQWOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O/c11-6-3-5(1-2-8(6)13)17-9-7(12)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine?
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine has a molecular weight of 274.08 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80876289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).